Molecule FYI-1004556

A

Molecule Summary:

ID: FYI-1004556
Names:
InChIKey: WOUSFWXUYVPOJR-VQHVLOKHSA-N
SMILES: CCCOc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004556 Edit

Molecule Structure InChIKey: WOUSFWXUYVPOJR-VQHVLOKHSA-N

Molecule Structure SMILES String: CCCOc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004556
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 21  7  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004556-3D
FYIcenter.com

 55 55  0  0  0  0  0  0  0  0999 V2000
    5.3338   -0.9706   -3.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1125    0.3108   -3.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865    1.4742   -2.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248    2.6054   -2.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0434    3.7828   -2.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    3.8688   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1593    5.1203   -0.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438    5.2326    1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030    5.2479    1.0194 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441    6.2588    1.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    7.2633    2.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472    6.0261    1.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303    4.8049    2.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    4.5506    2.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    3.3050    3.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9153    3.0180    2.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4255    6.2855   -1.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0192    6.2121   -2.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2846    2.9725   -0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8263    4.3713    1.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
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  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
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  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
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 17 18  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1043👍, 0💬